基于网络药理学探讨甘草-枳壳活性成分抗乳腺癌作用机制

目的:基于网络药理学进行数据挖掘,探讨甘草-枳壳的抗乳腺癌的潜在活性成分和可能作用机制。方法:从中药系统药理学分析平台(TCMSP)筛选的甘草-枳壳活性成分与药物数据库Therapeutic Target Databas(TTD)数据库检索的乳腺癌靶点进行了对比分析,归纳总结出甘草-枳壳中活性成分抗乳腺癌作用的主要潜在靶点,利用Cytoscape 3. 7. 1软件构建甘草-枳壳活性成分-靶点-疾病网络并进行分析。结果:根据类药性(DL)及口服生物利用度(OB)相关条件筛选获得甘草-枳壳活性成分-乳腺癌靶标网络图,该网络总共包括133个节点,化学成分116个,乳腺癌药物靶点有17个;与乳腺癌药物靶点相互作用的甘草活性成分有109个;与乳腺癌药物靶点相互作用的枳壳活性成分有6个;与乳腺癌药物靶点相互作用的枳壳、甘草共有的活性成分有1个;网络图中有400个乳腺癌靶点-相互作用靶标对。结论:甘草-枳壳抗乳腺癌作用的发挥是基于多成分、多通路和多靶点的整体药效效应,挖掘了抗乳腺癌的潜在作用机制,为进一步实验研究提供了理论基础。

Exploration of Active Ingredients and Anti-breast Cancer Mechanism of Glycyrrhizae Radix Et Rhizome and Aurantii Fructus Based on Network Pharmacology

Objective: To explore the potential active ingredients and possible anti-breast cancer mechanism of Glycyrrhizae Radix et Rhizome and Aurantii Fructus based on the method of network pharmacology. Method: The main potential targets of Glycyrrhizae Radix et Rhizome and Aurantii Fructus on breast cancer were summarized by comparing the Glycyrrhizae Radix et Rhizome-Aurantii Fructus active ingredients screened from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) and breast cancer targets searched in Therapeutic Target Database (TTD). Cytoscape 3.7.1 software was used to establish a Glycyrrhizae Radix et Rhizome-Aurantii Fructus active ingredients-target-disease network and perform topology analysis based on the network. Result: According to related conditions of drug-like (DL) and oral bioavailability (OB), the network of Glycyrrhizae Radix et Rhizome-Aurantii Fructus active ingredients-breast cancer target was obtained, covering a total of 133 nodes, 116 chemical components and 17 breast cancer drug targets, 109 active components of Glycyrrhizae Radix et Rhizome interacting with breast cancer drug target, 6 active ingredients of Aurantii Fructus interacting with breast cancer drug targets, and 1 common active ingredient of Aurantii Fructus and Glycyrrhizae Radix et Rhizome interacting with breast cancer targets. There were 400 breast cancer target-interaction target pairs in the network diagram. Conclusion: The anti-breast cancer effect of Glycyrrhizae Radix et Rhizome and Aurantii Fructus is based on the overall pharmacodynamic effect of multi-component, multi-pathway and multi-target, the investigation of its potential anti-breast cancer mechanism provides theoretical basis for further experimental research.